Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 3 results

Search term: VGDUHSQTOJRQNB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10263582

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C68H80N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-18,23-26,31-38,51-52,55-58,65-66,75-82H,13-14,19-22H2,1-12H3/t23-,24-,25+,26+,31-,32-,33+,34+,35+,36+,37+,38+,51+,52+,55-,56-,57+,58+,65-,66-,67+,68+/m1/s1
C68H80N6O241365.38864453
29213078

6 of 22 defined stereocentres - 6/22 defined
InChI=1/C68H80N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-18,23-26,31-38,51-52,55-58,65-66,75-82H,13-14,19-22H2,1-12H3/t23?,24?,25?,26?,31?,32?,33?,34?,35?,36?,37?,38?,51-,52-,55?,56?,57?,58?,65+,66+,67-,68-/m0/s1
C68H80N6O241365.38862200
28284902

15 of 22 defined stereocentres - 15/22 defined
InChI=1/C68H80N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-18,23-26,31-38,51-52,55-58,65-66,75-82H,13-14,19-22H2,1-12H3/t23-,24?,25-,26+,31?,32+,33?,34+,35-,36?,37?,38+,51-,52-,55+,56?,57?,58+,65+,66+,67-,68-/m1/s1
C68H80N6O241365.38861100

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